3-[(3R)-1,4-dimethoxy-3-methylbutyl]pyridine

C12H19NO2 — CID 177219676

IUPAC3-[(3R)-1,4-dimethoxy-3-methylbutyl]pyridine
SMILESCOC[C@H](C)CC(OC)c1cccnc1
InChIInChI=1S/C12H19NO2/c1-10(9-14-2)7-12(15-3)11-5-4-6-13-8-11/h4-6,8,10,12H,7,9H2,1-3H3/t10-,12?/m1/s1
InChIKeyOBFQHQKHGFUPQT-RWANSRKNSA-N
MW209.29 g/mol
LogP2.44
Rot. Bonds6

About 3-[(3R)-1,4-dimethoxy-3-methylbutyl]pyridine

3-[(3R)-1,4-dimethoxy-3-methylbutyl]pyridine (PubChem CID 177219676) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-[(3R)-1,4-dimethoxy-3-methylbutyl]pyridine.

Molecular Properties

Compound Name3-[(3R)-1,4-dimethoxy-3-methylbutyl]pyridine
PubChem CID177219676
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name3-[(3R)-1,4-dimethoxy-3-methylbutyl]pyridine
SMILESCOC[C@H](C)CC(OC)c1cccnc1
InChIInChI=1S/C12H19NO2/c1-10(9-14-2)7-12(15-3)11-5-4-6-13-8-11/h4-6,8,10,12H,7,9H2,1-3H3/t10-,12?/m1/s1
InChIKeyOBFQHQKHGFUPQT-RWANSRKNSA-N
XLogP2.44
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-2-pyridin-3-ylpropan-1-ol
CID 117241293
3-methoxy-N-[(1S)-1-pyridin-3-ylethyl]propan-1-amine
CID 28673557
2-[2-(2-methylpropoxy)ethoxy]-2-pyridin-3-ylethanamine
CID 106446864
N-ethyl-3-methoxy-1-pyridin-3-ylpropan-1-amine
CID 61412717
(4-methoxy-1-pyridin-3-ylbutyl)hydrazine
CID 105196232
4-methoxy-3-methyl-1-pyrimidin-5-ylbutan-1-ol
CID 105083775
4-methoxy-1-pyridin-3-ylpentan-1-amine
CID 105098535
N-(2-methylpropyl)-1-pyridin-3-ylbutan-1-amine
CID 104581333
3-(1-phenoxypropyl)pyridine
CID 57251428
N-methyl-N-(1-pyridin-3-ylethyl)propan-1-amine
CID 143947974
3-methyl-1-pyridin-3-ylbutane-1,4-diamine
CID 116934246
4-methoxy-N,3-dimethyl-1-pyrimidin-5-ylbutan-1-amine
CID 105119199

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1,4-dimethoxy-3-methylbutyl]pyridine?
The IUPAC name of 3-[(3R)-1,4-dimethoxy-3-methylbutyl]pyridine (CID 177219676) is 3-[(3R)-1,4-dimethoxy-3-methylbutyl]pyridine.
What is the SMILES notation for 3-[(3R)-1,4-dimethoxy-3-methylbutyl]pyridine?
The canonical SMILES for 3-[(3R)-1,4-dimethoxy-3-methylbutyl]pyridine is COC[C@H](C)CC(OC)c1cccnc1.
What is the InChIKey of 3-[(3R)-1,4-dimethoxy-3-methylbutyl]pyridine?
The InChIKey is OBFQHQKHGFUPQT-RWANSRKNSA-N. The full InChI is InChI=1S/C12H19NO2/c1-10(9-14-2)7-12(15-3)11-5-4-6-13-8-11/h4-6,8,10,12H,7,9H2,1-3H3/t10-,12?/m1/s1.
What are the key properties of 3-[(3R)-1,4-dimethoxy-3-methylbutyl]pyridine?
3-[(3R)-1,4-dimethoxy-3-methylbutyl]pyridine has a molecular weight of 209.29 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1,4-dimethoxy-3-methylbutyl]pyridine is sourced from PubChem (CID 177219676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).